| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:28 UTC |
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| Update Date | 2025-03-21 18:36:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111491 |
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| Frequency | 23.8 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | CC(CO)Cc1ccc(C(=O)C(=O)O)cc1 |
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| InChI Key | BHMYHYJDGMXCRO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-keto acids and derivativesaryl ketonesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidbenzoylcarboxylic acid derivativeketonephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidhydrocarbon derivativeprimary alcoholorganooxygen compoundaryl ketone |
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